COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051162
Chemical Name: (2E)-4-[(1,3-benzodioxol-5-ylmethyl){1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}amino]-4-oxobut-2-enoicacid
Smiles: CCCCCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)/C=C/C(=O)O)Cc1ccc2c(c1)OCO2

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Molecular Weight: 522.55
Empirical Formula: C28H30N2O8

Physical State: Liquid
Available Amount: 132 mg

Lipinsky:
logP: 3.294
Rotatable bonds: 11
H-donors: 1
H-acceptors: 8
PSA: 122
Number of rings: 4

     

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